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Information card for entry 2311515
Preview
| Coordinates | 2311515.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | <i>r</i>-1,<i>c</i>-2-Dibenzoyl-<i>t</i>-3,<i>t</i>-4-bis(2-nitrophenyl)cyclobutane |
|---|---|
| Chemical name | [3,4-Bis(2-nitrophenyl)cyclobutane-1,2-diyl]bis[(phenyl)methanone] |
| Formula | C30 H22 N2 O6 |
| Calculated formula | C30 H22 N2 O6 |
| Title of publication | Crystal structure of <i>r</i>-1,<i>c</i>-2-dibenzoyl-<i>t</i>-3,<i>t</i>-4-bis-(2-nitro-phen-yl)cyclo-butane. |
| Authors of publication | Velasco Ximello, Manuel; Bernès, Sylvain; Pérez-Benítez, Aarón; Hernández Pareja, Ulises; Mendoza, Angel; Juárez Posadas, Jorge R; Vázquez Bravo, Jaime |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 12 |
| Pages of publication | 1866 - 1870 |
| a | 7.2599 ± 0.0005 Å |
| b | 10.5614 ± 0.0005 Å |
| c | 16.7351 ± 0.0008 Å |
| α | 78.863 ± 0.004° |
| β | 87.472 ± 0.005° |
| γ | 85.238 ± 0.005° |
| Cell volume | 1254.13 ± 0.12 Å3 |
| Cell temperature | 295 ± 1 K |
| Ambient diffraction temperature | 295 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0881 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1348 |
| Weighted residual factors for all reflections included in the refinement | 0.1642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311515.cif |
| 245950 | 2019-12-25 | cif/ Adding structures of 2311515 via cif-deposit CGI script. |
2311515.cif |
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Users of the data should acknowledge the original authors of the
structural data.